
 CHEMBL1689809

 60 63  0  0  0  0  0  0  0  0999 V2000
    0.3056    1.1621    2.3158 C   0  0  0  0  0
    1.8382    1.1750    2.1600 C   0  0  0  0  0
    2.3589    2.6237    1.9731 C   0  0  0  0  0
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    2.0943   -0.9655    0.9848 N   0  0  0  0  0
    2.2086    0.3764    0.9837 N   0  0  0  0  0
    3.0603   -0.2153   -2.4917 C   0  0  0  0  0
    2.7284   -1.1543   -3.2070 O   0  0  0  0  0
    3.8088    0.8569   -2.9274 N   0  0  0  0  0
    4.3336    1.0151   -4.2929 C   0  0  0  0  0
    5.2349   -0.1895   -4.6494 C   0  0  0  0  0
    3.1795    1.0650   -5.3206 C   0  0  0  0  0
    5.0920    2.3637   -4.3588 C   0  0  0  0  0
    6.4422    2.4609   -4.7370 C   0  0  0  0  0
    7.0878    3.6998   -4.8269 C   0  0  0  0  0
    6.4062    4.8852   -4.5323 C   0  0  0  0  0
    5.0669    4.8039   -4.1320 C   0  0  0  0  0
    4.4223    3.5644   -4.0473 C   0  0  0  0  0
    7.0860    6.2265   -4.6502 C   0  0  0  0  0
    6.4823    7.0386   -5.5622 F   0  0  0  0  0
    7.0867    6.9181   -3.4767 F   0  0  0  0  0
    8.3914    6.1450   -5.0337 F   0  0  0  0  0
    2.6764    4.5286    0.3226 C   0  0  0  0  0
    4.0643    4.7389    0.3976 C   0  0  0  0  0
    4.6099    6.0016    0.1659 C   0  0  0  0  0
    3.7771    7.0708   -0.1527 C   0  0  0  0  0
    2.3998    6.8775   -0.2418 C   0  0  0  0  0
    1.8512    5.6147   -0.0063 C   0  0  0  0  0
    2.4741    0.5947    3.4386 C   0  0  0  0  0
   -0.2013    1.5090    1.4090 H   0  0  0  0  0
   -0.0133    1.8006    3.1469 H   0  0  0  0  0
   -0.0637    0.1493    2.5177 H   0  0  0  0  0
    1.9131    3.2917    2.7218 H   0  0  0  0  0
    3.4415    2.6347    2.1616 H   0  0  0  0  0
    0.9936    3.2082    0.3991 H   0  0  0  0  0
    2.5428    2.5983   -1.3929 H   0  0  0  0  0
    2.3787   -2.3432   -0.5604 H   0  0  0  0  0
    4.1783    1.4654   -2.2045 H   0  0  0  0  0
    6.0564   -0.2990   -3.9315 H   0  0  0  0  0
    5.6629   -0.0902   -5.6539 H   0  0  0  0  0
    4.6841   -1.1354   -4.6456 H   0  0  0  0  0
    2.4314    1.8230   -5.0611 H   0  0  0  0  0
    2.6478    0.1100   -5.3858 H   0  0  0  0  0
    3.5539    1.2976   -6.3248 H   0  0  0  0  0
    7.0290    1.5795   -4.9838 H   0  0  0  0  0
    8.1316    3.7287   -5.1383 H   0  0  0  0  0
    4.5129    5.7104   -3.8904 H   0  0  0  0  0
    3.3771    3.5477   -3.7432 H   0  0  0  0  0
    4.7316    3.9101    0.6273 H   0  0  0  0  0
    5.6851    6.1484    0.2307 H   0  0  0  0  0
    4.2029    8.0544   -0.3338 H   0  0  0  0  0
    1.7520    7.7128   -0.4959 H   0  0  0  0  0
    0.7737    5.4877   -0.0868 H   0  0  0  0  0
    3.5648    0.5332    3.3469 H   0  0  0  0  0
    2.1079   -0.4161    3.6520 H   0  0  0  0  0
    2.2437    1.2187    4.3096 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 10  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  8  9  2  0  0  0
  8 41  1  0  0  0
  9 10  1  0  0  0
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 13 14  1  0  0  0
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 33 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1689809

>  <PubChem CID>
136030614

>  <Formula>
C25H27F3N4O

>  <Molecular Weight>
456.513000

>  <IUPAC Name>
7,7-dimethyl-5-phenyl-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1(CC(NC2=C(C=NN21)C(=O)NC(C)(C)C3=CC=C(C=C3)C(F)(F)F)C4=CC=CC=C4)C

>  <Isomeric SMILES>
CC1(CC(NC2=C(C=NN21)C(=O)NC(C)(C)C3=CC=C(C=C3)C(F)(F)F)C4=CC=CC=C4)C

>  <InChI Std. ID>
InChI=1S/C25H27F3N4O/c1-23(2)14-20(16-8-6-5-7-9-16)30-21-19(15-29-32(21)23)22(33)31-24(3,4)17-10-12-18(13-11-17)25(26,27)28/h5-13,15,20,30H,14H2,1-4H3,(H,31,33)

>  <InChI Key>
ASISRSAIVWZING-UHFFFAOYSA-N

